LinearPenaltyFunction.hh

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/// @file src/core/scoring/constraints/LinearPenaltyFunction.hh
/// @brief Linear penalty for values outside a certain range
/// @author Dominik Gront

#ifndef INCLUDED_core_scoring_constraints_LinearPenaltyFunction_hh
#define INCLUDED_core_scoring_constraints_LinearPenaltyFunction_hh

#include <core/scoring/constraints/Func.hh>

#include <core/types.hh>

// #include <utility/pointer/ReferenceCount.hh>

// #include <ObjexxFCL/format.hh>
// #include <basic/Tracer.hh>

namespace core {
namespace scoring {
namespace constraints {

class LinearPenaltyFunction : public Func {
public:
  LinearPenaltyFunction( Real const x_middle, Real const well_depth, Real const half_width, Real const slope ):
      x_middle_( x_middle ), well_depth_( well_depth ), half_width_ ( half_width ), slope_ ( slope ) {}

  FuncOP
  clone() const { return new LinearPenaltyFunction( *this ); }

  Real func( Real const x ) const;
  Real dfunc( Real const x ) const;

  void read_data( std::istream& in );

  void show_definition( std::ostream &out ) const;

  Real get_x_middle() const { return x_middle_; }
  Real get_well_depth() const { return well_depth_; }
  Real get_half_width() const { return half_width_; }
  Real get_slope() const { return slope_; }
  void set_x_middle( Real x ) { x_middle_ = x; }
  void set_well_depth( Real well_depth ){ well_depth_ = well_depth;}
  void set_half_width(Real half_width) { half_width_ = half_width;}
  void set_slope(Real slope) { slope_ = slope; }
  Size
  show_violations( std::ostream& out, Real x, Size verbose_level, core::Real threshold = 1 ) const;

private:
  Real x_middle_;
  Real well_depth_;
  Real half_width_;
  Real slope_;
};



} // constraints
} // scoring
} // core

#endif